(1R,3S,5R,7R)-1,5-diaminoadamantane-2,6-dione

C10H14N2O2 — CID 98349629

IUPAC(1R,3S,5R,7R)-1,5-diaminoadamantane-2,6-dione
SMILESN[C@]12C[C@@H]3C[C@H](C[C@@](N)(C1)C3=O)C2=O
InChIInChI=1S/C10H14N2O2/c11-9-2-5-1-6(8(9)14)3-10(12,4-9)7(5)13/h5-6H,1-4,11-12H2/t5-,6+,9-,10-/m1/s1
InChIKeyBVVSEEPMQJVZRX-MLTZYSBQSA-N
MW194.23 g/mol
LogP-0.65
Rot. Bonds

About (1R,3S,5R,7R)-1,5-diaminoadamantane-2,6-dione

(1R,3S,5R,7R)-1,5-diaminoadamantane-2,6-dione (PubChem CID 98349629) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (1R,3S,5R,7R)-1,5-diaminoadamantane-2,6-dione.

Molecular Properties

Compound Name(1R,3S,5R,7R)-1,5-diaminoadamantane-2,6-dione
PubChem CID98349629
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(1R,3S,5R,7R)-1,5-diaminoadamantane-2,6-dione
SMILESN[C@]12C[C@@H]3C[C@H](C[C@@](N)(C1)C3=O)C2=O
InChIInChI=1S/C10H14N2O2/c11-9-2-5-1-6(8(9)14)3-10(12,4-9)7(5)13/h5-6H,1-4,11-12H2/t5-,6+,9-,10-/m1/s1
InChIKeyBVVSEEPMQJVZRX-MLTZYSBQSA-N
XLogP-0.65
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,3R,5S,7R)-1,5-dibromoadamantane-2,6-dione
CID 98083534
1-aminoadamantan-2-one;hydrochloride
CID 12563251
bicyclo[1.1.1]pentan-2-one
CID 13356641
7,7-difluoro-3-oxabicyclo[3.3.1]nonane-2,4-dione
CID 87420614
3-bromo-1-iodotricyclo[3.3.1.03,7]nonan-9-one
CID 621471
tricyclo[8.2.1.14,7]tetradecane-5,6,11,12-tetrone
CID 139469180
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dione
CID 68535573
(1R,7S)-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione
CID 57196131
dimethyl (1S,3R,5R,7S)-3,7-dinitro-2,6-dioxobicyclo[3.3.1]nonane-3,7-dicarboxylate
CID 98454072
2-oxoadamantane-1-carbonitrile
CID 18942877
(5R,7R)-2-oxoadamantane-1-carboxylic acid
CID 7071792
(1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one
CID 10654444

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R,7R)-1,5-diaminoadamantane-2,6-dione?
The IUPAC name of (1R,3S,5R,7R)-1,5-diaminoadamantane-2,6-dione (CID 98349629) is (1R,3S,5R,7R)-1,5-diaminoadamantane-2,6-dione.
What is the SMILES notation for (1R,3S,5R,7R)-1,5-diaminoadamantane-2,6-dione?
The canonical SMILES for (1R,3S,5R,7R)-1,5-diaminoadamantane-2,6-dione is N[C@]12C[C@@H]3C[C@H](C[C@@](N)(C1)C3=O)C2=O.
What is the InChIKey of (1R,3S,5R,7R)-1,5-diaminoadamantane-2,6-dione?
The InChIKey is BVVSEEPMQJVZRX-MLTZYSBQSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-9-2-5-1-6(8(9)14)3-10(12,4-9)7(5)13/h5-6H,1-4,11-12H2/t5-,6+,9-,10-/m1/s1.
What are the key properties of (1R,3S,5R,7R)-1,5-diaminoadamantane-2,6-dione?
(1R,3S,5R,7R)-1,5-diaminoadamantane-2,6-dione has a molecular weight of 194.23 g/mol, XLogP of -0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R,7R)-1,5-diaminoadamantane-2,6-dione is sourced from PubChem (CID 98349629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).